N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

C19H21FN2O3 — CID 75536639

IUPACN-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-15-8-6-14(7-9-15)19(24)22-11-17-18(23)16(12-25-17)21-10-13-4-2-1-3-5-13/h1-9,16-18,21,23H,10-12H2,(H,22,24)/t16-,17-,18+/m1/s1
InChIKeyBRPAPPOOFUQKLQ-KURKYZTESA-N
MW344.39 g/mol
LogP1.47
Rot. Bonds6

About N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (PubChem CID 75536639) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
PubChem CID75536639
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-15-8-6-14(7-9-15)19(24)22-11-17-18(23)16(12-25-17)21-10-13-4-2-1-3-5-13/h1-9,16-18,21,23H,10-12H2,(H,22,24)/t16-,17-,18+/m1/s1
InChIKeyBRPAPPOOFUQKLQ-KURKYZTESA-N
XLogP1.47
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536649
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536647
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162789942
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
CID 75536616

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (CID 75536639) is N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is BRPAPPOOFUQKLQ-KURKYZTESA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-8-6-14(7-9-15)19(24)22-11-17-18(23)16(12-25-17)21-10-13-4-2-1-3-5-13/h1-9,16-18,21,23H,10-12H2,(H,22,24)/t16-,17-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 344.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 75536639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).